mp-695170/Nd3Al3Si3N2O12/harm

Equation of state

../../_images/fig_bm2391.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4830.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6698.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4830.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24639.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times8548.png

(a) Computation time